tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate

C18H24ClNO3 — CID 16720846

IUPACtert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](C=O)c1ccccc1Cl
InChIInChI=1S/C18H24ClNO3/c1-18(2,3)23-17(22)20-11-7-6-10-16(20)14(12-21)13-8-4-5-9-15(13)19/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3/t14-,16-/m1/s1
InChIKeyNAANWVRBGKQEFH-GDBMZVCRSA-N
MW337.85 g/mol
LogP4.41
Rot. Bonds3

About tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 16720846) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID16720846
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Nametert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](C=O)c1ccccc1Cl
InChIInChI=1S/C18H24ClNO3/c1-18(2,3)23-17(22)20-11-7-6-10-16(20)14(12-21)13-8-4-5-9-15(13)19/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3/t14-,16-/m1/s1
InChIKeyNAANWVRBGKQEFH-GDBMZVCRSA-N
XLogP4.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid
CID 58913468
tert-butyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate
CID 15320734
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
tert-butyl (2S)-2-[(1S)-2-methoxy-2-oxo-1-phenylethyl]piperidine-1-carboxylate
CID 11067588
tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate
CID 103724645
tert-butyl (2S)-2-[(2R)-4-methyl-1-oxopent-3-en-2-yl]piperidine-1-carboxylate
CID 102193331
tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424
tert-butyl 2-[amino-(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 82308615
(2S)-2-(4-methylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]acetic acid
CID 169028130
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
CID 23091770

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate (CID 16720846) is tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](C=O)c1ccccc1Cl.
What is the InChIKey of tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is NAANWVRBGKQEFH-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-18(2,3)23-17(22)20-11-7-6-10-16(20)14(12-21)13-8-4-5-9-15(13)19/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 337.85 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 16720846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).